SCHEMBL4814101

SCHEMBL4814101

CCn1cc(Cc2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(OC)cc2C(=O)OCc2ccccc2)c2ccc(C#N)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.36
LTB4R Q15722 1/20 0.36
MAPT P10636 3/20 0.34
PLA2G2A P14555 2/20 0.34
TSHR P16473 2/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
MAPK1 P28482 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 2/20 0.33
ABCB1 P08183 1/20 0.32
GAA P10253 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
RAB9A P51151 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4812571 0.92 PLA2G4A (0.43) PLA2G4ALTB4RMAPTPLA2G2ATSHR
SCHEMBL4815505 0.92 TSHR (0.36) PLA2G4ALTB4RMAPTTSHRMAPK1
SCHEMBL4812579 0.91 PLA2G4A (0.40) PLA2G4ALTB4RMAPTPLA2G2ATSHR
SCHEMBL4817901 0.84 ROCK2 (0.41) TSHRMAPK1ALDH1A1LMNAGAA
SCHEMBL4812930 0.84 PLA2G4A (0.41) PLA2G4ALTB4RTSHRMAPK1CYSLTR2
SCHEMBL4813180 0.84 PLA2G4A (0.34) PLA2G4ALTB4RMAPTTSHRFNTA
SCHEMBL4815680 0.84 PTPRC (0.37) PLA2G4ALTB4RMAPTTSHRMAPK1
SCHEMBL4812944 0.82 PLA2G4A (0.38) PLA2G4ALTB4RMAPTTSHRMAPK1
SCHEMBL4810134 0.82 TRPA1 (0.34) PLA2G4ALTB4RMAPTHPGD
SCHEMBL4811266 0.80 PTGER4 (0.36) PLA2G4ALTB4RTSHRMAPK1CYSLTR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
EP-1740538-A4 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-12-19 EP disclosed
EP-1740538-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
WO-2005099709-A2 BICYCLIC HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-27 WO disclosed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent F12, F11, F2 PLA2G4A 271/4885LTB4R 588/4885MAPT 4016/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.